General Information of the Compound
| Compound ID |
CP0397258
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| Compound Name |
N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide
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| Structure |
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| Formula |
C20H18ClF2N3O
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| Molecular Weight |
389.833
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| Canonical SMILES |
Cc1c(Cl)cccc1CNC(=O)Cc1cnc(-c2ccc(F)cc2F)n1C
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| InChI |
InChI=1S/C20H18ClF2N3O/c1-12-13(4-3-5-17(12)21)10-24-19(27)9-15-11-25-20(26(15)2)16-7-6-14(22)8-18(16)23/h3-8,11H,9-10H2,1-2H3,(H,24,27)
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| InChIKey |
WRPHYPFMMUAFAX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7